N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide

C22H23ClN2O3S — CID 54117494

IUPACN-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide
SMILESCc1cc(CC(C)c2ccc(NS(C)(=O)=O)cc2)[nH]c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O3S/c1-14(16-6-10-19(11-7-16)25-29(3,27)28)12-20-13-15(2)21(24-20)22(26)17-4-8-18(23)9-5-17/h4-11,13-14,24-25H,12H2,1-3H3
InChIKeyNLIWLRKSWBRXOY-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.93
Rot. Bonds7

About N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide

N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide (PubChem CID 54117494) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide
PubChem CID54117494
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC NameN-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide
SMILESCc1cc(CC(C)c2ccc(NS(C)(=O)=O)cc2)[nH]c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O3S/c1-14(16-6-10-19(11-7-16)25-29(3,27)28)12-20-13-15(2)21(24-20)22(26)17-4-8-18(23)9-5-17/h4-11,13-14,24-25H,12H2,1-3H3
InChIKeyNLIWLRKSWBRXOY-UHFFFAOYSA-N
XLogP4.93
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide (CID 54117494) is N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide is Cc1cc(CC(C)c2ccc(NS(C)(=O)=O)cc2)[nH]c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide?
The InChIKey is NLIWLRKSWBRXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-14(16-6-10-19(11-7-16)25-29(3,27)28)12-20-13-15(2)21(24-20)22(26)17-4-8-18(23)9-5-17/h4-11,13-14,24-25H,12H2,1-3H3.
What are the key properties of N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide?
N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide has a molecular weight of 430.96 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 54117494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).