1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine

C19H27N5O2S — CID 113029435

IUPAC1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
SMILESCc1cccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)nc3)CC2)c1C
InChIInChI=1S/C19H27N5O2S/c1-15-6-5-7-18(16(15)2)24-12-10-23(11-13-24)17-8-9-19(20-14-17)21-27(25,26)22(3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21)
InChIKeyWJHMQARURZVCGW-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine

1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine (PubChem CID 113029435) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
PubChem CID113029435
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
SMILESCc1cccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)nc3)CC2)c1C
InChIInChI=1S/C19H27N5O2S/c1-15-6-5-7-18(16(15)2)24-12-10-23(11-13-24)17-8-9-19(20-14-17)21-27(25,26)22(3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21)
InChIKeyWJHMQARURZVCGW-UHFFFAOYSA-N
XLogP2.24
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 113028878
4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 742913
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methanesulfonamido)benzoic acid
CID 50781041
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
4-[2-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]phenyl]morpholine
CID 113035765
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine (CID 113029435) is 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine is Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)nc3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine?
The InChIKey is WJHMQARURZVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-15-6-5-7-18(16(15)2)24-12-10-23(11-13-24)17-8-9-19(20-14-17)21-27(25,26)22(3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21).
What are the key properties of 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine?
1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine has a molecular weight of 389.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine is sourced from PubChem (CID 113029435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).