N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C24H29ClN4O3S — CID 174603455

IUPACN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3
InChIKeyFQNUBWVUVADQKO-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.35
Rot. Bonds9

About N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 174603455) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID174603455
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC NameN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3
InChIKeyFQNUBWVUVADQKO-UHFFFAOYSA-N
XLogP4.35
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 174603446
N-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934648
4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 57378304
N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide
CID 174588762
N-butyl-N-[4-chloro-2-(6-methylsulfonylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 174492130
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
N-butyl-N-[4-chloro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 174618681
N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034454
N-butyl-N-[4-chloro-5-fluoro-2-[4-methyl-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 174683896
N-butyl-N-[4-chloro-5-fluoro-2-[4-methyl-5-(methylsulfonylmethyl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 174573824
2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide
CID 174508563
N-butyl-N-[4-chloro-5-fluoro-2-[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 174588783

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 174603455) is N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is CCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is FQNUBWVUVADQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3.
What are the key properties of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 489.04 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 174603455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).