2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide

C28H29Cl2N3O6S2 — CID 170565465

IUPAC2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide
SMILESO=C(C1CCCO1)N1CCN(Cc2cccc(N(S(=O)(=O)c3ccccc3Cl)S(=O)(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C28H29Cl2N3O6S2/c29-23-9-1-3-12-26(23)40(35,36)33(41(37,38)27-13-4-2-10-24(27)30)22-8-5-7-21(19-22)20-31-14-16-32(17-15-31)28(34)25-11-6-18-39-25/h1-5,7-10,12-13,19,25H,6,11,14-18,20H2
InChIKeyQFILELFHDPMKEJ-UHFFFAOYSA-N
MW638.60 g/mol
LogP4.40
Rot. Bonds8

About 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide

2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide (PubChem CID 170565465) has the molecular formula C28H29Cl2N3O6S2 and a molecular weight of 638.60 g/mol. Its IUPAC name is 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide
PubChem CID170565465
Molecular FormulaC28H29Cl2N3O6S2
Molecular Weight638.60 g/mol
Exact Mass637.09
IUPAC Name2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide
SMILESO=C(C1CCCO1)N1CCN(Cc2cccc(N(S(=O)(=O)c3ccccc3Cl)S(=O)(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C28H29Cl2N3O6S2/c29-23-9-1-3-12-26(23)40(35,36)33(41(37,38)27-13-4-2-10-24(27)30)22-8-5-7-21(19-22)20-31-14-16-32(17-15-31)28(34)25-11-6-18-39-25/h1-5,7-10,12-13,19,25H,6,11,14-18,20H2
InChIKeyQFILELFHDPMKEJ-UHFFFAOYSA-N
XLogP4.40
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.60
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide
CID 175505444
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 6466812
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110817829
4-chloro-N-ethyl-3-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 25351084
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 49229106
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56513256
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 37399558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide (CID 170565465) is 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide is O=C(C1CCCO1)N1CCN(Cc2cccc(N(S(=O)(=O)c3ccccc3Cl)S(=O)(=O)c3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide?
The InChIKey is QFILELFHDPMKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O6S2/c29-23-9-1-3-12-26(23)40(35,36)33(41(37,38)27-13-4-2-10-24(27)30)22-8-5-7-21(19-22)20-31-14-16-32(17-15-31)28(34)25-11-6-18-39-25/h1-5,7-10,12-13,19,25H,6,11,14-18,20H2.
What are the key properties of 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide?
2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide has a molecular weight of 638.60 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 170565465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).