2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide

C14H21ClN2O4S2 — CID 124690405

IUPAC2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCCNC2)c1
InChIInChI=1S/C14H21ClN2O4S2/c1-22(18,19)12-4-5-13(15)14(9-12)23(20,21)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyFBKYKSQDURHLQO-LLVKDONJSA-N
MW380.92 g/mol
LogP1.41
Rot. Bonds6

About 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide

2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide (PubChem CID 124690405) has the molecular formula C14H21ClN2O4S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
PubChem CID124690405
Molecular FormulaC14H21ClN2O4S2
Molecular Weight380.92 g/mol
Exact Mass380.06
IUPAC Name2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCCNC2)c1
InChIInChI=1S/C14H21ClN2O4S2/c1-22(18,19)12-4-5-13(15)14(9-12)23(20,21)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyFBKYKSQDURHLQO-LLVKDONJSA-N
XLogP1.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
2-chloro-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624350
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide (CID 124690405) is 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCCNC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is FBKYKSQDURHLQO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O4S2/c1-22(18,19)12-4-5-13(15)14(9-12)23(20,21)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide?
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 380.92 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 124690405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).