4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide

C19H25N3O6S3 — CID 30126367

IUPAC4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H25N3O6S3/c1-29(23,24)21-17-6-10-18(11-7-17)30(25,26)20-13-12-16-4-8-19(9-5-16)31(27,28)22-14-2-3-15-22/h4-11,20-21H,2-3,12-15H2,1H3
InChIKeyZXOBIVMQHVAUPW-UHFFFAOYSA-N
MW487.63 g/mol
LogP1.36
Rot. Bonds9

About 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide

4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 30126367) has the molecular formula C19H25N3O6S3 and a molecular weight of 487.63 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID30126367
Molecular FormulaC19H25N3O6S3
Molecular Weight487.63 g/mol
Exact Mass487.09
IUPAC Name4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H25N3O6S3/c1-29(23,24)21-17-6-10-18(11-7-17)30(25,26)20-13-12-16-4-8-19(9-5-16)31(27,28)22-14-2-3-15-22/h4-11,20-21H,2-3,12-15H2,1H3
InChIKeyZXOBIVMQHVAUPW-UHFFFAOYSA-N
XLogP1.36
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126020
N-[2-(3-methylphenyl)ethyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 3184652
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796461
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
CID 19684397
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide (CID 30126367) is 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZXOBIVMQHVAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S3/c1-29(23,24)21-17-6-10-18(11-7-17)30(25,26)20-13-12-16-4-8-19(9-5-16)31(27,28)22-14-2-3-15-22/h4-11,20-21H,2-3,12-15H2,1H3.
What are the key properties of 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 487.63 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30126367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).