6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C18H24ClN3O2S — CID 5267817

IUPAC6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C18H24ClN3O2S/c1-12(2)22(13(3)4)25(23,24)16-7-9-18(20-11-16)21-17-8-6-15(19)10-14(17)5/h6-13H,1-5H3,(H,20,21)
InChIKeyCZDUITREDATKGP-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.59
Rot. Bonds6

About 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 5267817) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID5267817
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C18H24ClN3O2S/c1-12(2)22(13(3)4)25(23,24)16-7-9-18(20-11-16)21-17-8-6-15(19)10-14(17)5/h6-13H,1-5H3,(H,20,21)
InChIKeyCZDUITREDATKGP-UHFFFAOYSA-N
XLogP4.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Arylsulfonylpiperazine, 25
CID 44237028
4-tert-butyl-N-(4-chloro-2-pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122185748
AJ-333/36115006
CID 902012
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
1-(4-Chloro-2-methylphenyl)-3-pyridin-2-ylthiourea
CID 667573
6-[3-(Trifluoromethyl)anilino]pyridine-3-sulfonamide
CID 902005
3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]-N,4-dimethylbenzenesulfonamide
CID 68305088
N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
CID 689341
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
N-(3-{(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl}phenyl)pyridine-3-sulfonamide
CID 25218450
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 5267817) is 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is Cc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is CZDUITREDATKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-12(2)22(13(3)4)25(23,24)16-7-9-18(20-11-16)21-17-8-6-15(19)10-14(17)5/h6-13H,1-5H3,(H,20,21).
What are the key properties of 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 5267817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).