2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide

C19H23ClN6O4S2 — CID 55989469

IUPAC2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C19H23ClN6O4S2/c1-4-25(5-2)32(29,30)18-12-14(6-11-17(18)20)21-13-19-22-23-24-26(19)15-7-9-16(10-8-15)31(3,27)28/h6-12,21H,4-5,13H2,1-3H3
InChIKeyDRXZJTBKZXVHIF-UHFFFAOYSA-N
MW499.02 g/mol
LogP2.36
Rot. Bonds9

About 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide

2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide (PubChem CID 55989469) has the molecular formula C19H23ClN6O4S2 and a molecular weight of 499.02 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
PubChem CID55989469
Molecular FormulaC19H23ClN6O4S2
Molecular Weight499.02 g/mol
Exact Mass498.09
IUPAC Name2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C19H23ClN6O4S2/c1-4-25(5-2)32(29,30)18-12-14(6-11-17(18)20)21-13-19-22-23-24-26(19)15-7-9-16(10-8-15)31(3,27)28/h6-12,21H,4-5,13H2,1-3H3
InChIKeyDRXZJTBKZXVHIF-UHFFFAOYSA-N
XLogP2.36
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.02
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline
CID 55988556
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 60535540
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
4-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 51225137
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 55988949
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol
CID 155534969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide (CID 55989469) is 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide?
The InChIKey is DRXZJTBKZXVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O4S2/c1-4-25(5-2)32(29,30)18-12-14(6-11-17(18)20)21-13-19-22-23-24-26(19)15-7-9-16(10-8-15)31(3,27)28/h6-12,21H,4-5,13H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide?
2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide has a molecular weight of 499.02 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide is sourced from PubChem (CID 55989469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).