2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride

C13H16Cl2N2O3S — CID 99079641

IUPAC2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
SMILESC[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c1-9-4-2-3-7-17(9)13(18)16-10-5-6-12(11(14)8-10)21(15,19)20/h5-6,8-9H,2-4,7H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyBWOBFUJVAYOXRU-SECBINFHSA-N
MW351.26 g/mol
LogP3.67
Rot. Bonds2

About 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride

2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride (PubChem CID 99079641) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
PubChem CID99079641
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
SMILESC[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c1-9-4-2-3-7-17(9)13(18)16-10-5-6-12(11(14)8-10)21(15,19)20/h5-6,8-9H,2-4,7H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyBWOBFUJVAYOXRU-SECBINFHSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonylamino)-2-chlorobenzenesulfonyl chloride
CID 2756575
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742320
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
CID 86805735
3,5-dichloro-4-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 82812003
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride (CID 99079641) is 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride is C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The InChIKey is BWOBFUJVAYOXRU-SECBINFHSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-9-4-2-3-7-17(9)13(18)16-10-5-6-12(11(14)8-10)21(15,19)20/h5-6,8-9H,2-4,7H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride has a molecular weight of 351.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride is sourced from PubChem (CID 99079641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).